5,6-diethyl-3-[ethyl(propan-2-yl)amino]pyridazine-4-carboximidamide

C14H25N5 — CID 80513182

IUPAC5,6-diethyl-3-[ethyl(propan-2-yl)amino]pyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1c(N(CC)C(C)C)nnc(CC)c1CC
InChIInChI=1S/C14H25N5/c1-6-10-11(7-2)17-18-14(12(10)13(15)16)19(8-3)9(4)5/h9H,6-8H2,1-5H3,(H3,15,16)
InChIKeyMTCLCGWFRGUNPZ-UHFFFAOYSA-N
MW263.39 g/mol
LogP2.12
Rot. Bonds6

About 5,6-diethyl-3-[ethyl(propan-2-yl)amino]pyridazine-4-carboximidamide

5,6-diethyl-3-[ethyl(propan-2-yl)amino]pyridazine-4-carboximidamide (PubChem CID 80513182) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is 5,6-diethyl-3-[ethyl(propan-2-yl)amino]pyridazine-4-carboximidamide.

Molecular Properties

Compound Name5,6-diethyl-3-[ethyl(propan-2-yl)amino]pyridazine-4-carboximidamide
PubChem CID80513182
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC Name5,6-diethyl-3-[ethyl(propan-2-yl)amino]pyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1c(N(CC)C(C)C)nnc(CC)c1CC
InChIInChI=1S/C14H25N5/c1-6-10-11(7-2)17-18-14(12(10)13(15)16)19(8-3)9(4)5/h9H,6-8H2,1-5H3,(H3,15,16)
InChIKeyMTCLCGWFRGUNPZ-UHFFFAOYSA-N
XLogP2.12
TPSA78.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-3-[ethyl(propan-2-yl)amino]pyridazine-4-carboximidamide?
The IUPAC name of 5,6-diethyl-3-[ethyl(propan-2-yl)amino]pyridazine-4-carboximidamide (CID 80513182) is 5,6-diethyl-3-[ethyl(propan-2-yl)amino]pyridazine-4-carboximidamide.
What is the SMILES notation for 5,6-diethyl-3-[ethyl(propan-2-yl)amino]pyridazine-4-carboximidamide?
The canonical SMILES for 5,6-diethyl-3-[ethyl(propan-2-yl)amino]pyridazine-4-carboximidamide is [H]/N=C(\N)c1c(N(CC)C(C)C)nnc(CC)c1CC.
What is the InChIKey of 5,6-diethyl-3-[ethyl(propan-2-yl)amino]pyridazine-4-carboximidamide?
The InChIKey is MTCLCGWFRGUNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c1-6-10-11(7-2)17-18-14(12(10)13(15)16)19(8-3)9(4)5/h9H,6-8H2,1-5H3,(H3,15,16).
What are the key properties of 5,6-diethyl-3-[ethyl(propan-2-yl)amino]pyridazine-4-carboximidamide?
5,6-diethyl-3-[ethyl(propan-2-yl)amino]pyridazine-4-carboximidamide has a molecular weight of 263.39 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-3-[ethyl(propan-2-yl)amino]pyridazine-4-carboximidamide is sourced from PubChem (CID 80513182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).